Geometry & MOs

Info

ID:	187561
PubChem CID:	77592383
Reduced:	N4O5C33H34 (1)
Stoich.:	A4B5C33D34 (1)
Weight, g/mol:	354.149204
ΔH_f, kcal/mol:	-133.79
Dipole, Da:	7.33
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-aminopropanoyl)-5-(2-fluorophenyl)-1-methyl-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CCCNC4=CC=CC=N4

DOS

IR

Vibrations