Geometry & MOs

Info

ID:	44828
PubChem CID:	10506075
Reduced:	N3O5C30H35 (1)
Stoich.:	A3B5C30D35 (1)
Weight, g/mol:	517.268905
ΔH_f, kcal/mol:	-123.29
Dipole, Da:	5.15
IP(EA), eV:	-8.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-2-(2-phenylethylcarbamoyl)hexanoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)/C=C/C=C/C(=O)NCCN2CCC(CC2)C3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations