Geometry & MOs

Info

ID:	438543
PubChem CID:	135228286
Reduced:	O3N5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	3.89
IP(EA), eV:	-8.28(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-amino-2-(5-amino-7-methoxy-2-oxo-1H-1,5-benzodiazepin-4-ylidene)acetic acid

Drug info:

PubChemData

Smile

CCN[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CCCNC(=O)N)C(=O)C(C)C

DOS

IR

Vibrations