Geometry & MOs

Info

ID:

168603

PubChem CID:

74994139

Reduced:

SN24O34C89H144 (1)

Stoich.:

AB24C34D89E144 (1)

Weight, g/mol:

157.085127

ΔHf, kcal/mol:

-1642.39

Dipole, Da:

9.52

IP(EA), eV:

 -8.91(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-5-ethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)N

DOS

IR

Vibrations