Geometry & MOs

Info

ID:	311119
PubChem CID:	126589474
Reduced:	N6O7C22H32 (1)
Stoich.:	A6B7C22D32 (1)
Weight, g/mol:	166.110613
ΔH_f, kcal/mol:	-310.43
Dipole, Da:	1.47
IP(EA), eV:	-9.64(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(C(=O)NCC(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)NCC(=O)N)N

DOS

IR

Vibrations