Geometry & MOs

Info

ID:

170995

PubChem CID:

75309595

Reduced:

S2N33O34C109H167 (1)

Stoich.:

A2B33C34D109E167 (1)

Weight, g/mol:

371.318815

ΔHf, kcal/mol:

-1536.45

Dipole, Da:

11.31

IP(EA), eV:

 -8.7(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyloctadec-9-enamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCS(=O)(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CCCCN)NC(=O)CNC(=O)CNC(=O)CNC=O

DOS

IR

Vibrations