Geometry & MOs

Info

ID:	440947
PubChem CID:	135232407
Reduced:	O3N12C29H50 (1)
Stoich.:	A3B12C29D50 (1)
Weight, g/mol:	590.41173
ΔH_f, kcal/mol:	43.19
Dipole, Da:	11.16
IP(EA), eV:	-8.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4Z)-2-acetamido-4-ethenylhepta-4,6-dienoyl]amino]-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCC2=NN(N=N2)CCCNCCCNC3CCCCC3)NC4CCN(CC4)C(=O)CCNCC(=O)O

DOS

IR

Vibrations