Geometry & MOs

Info

ID:	310769
PubChem CID:	126587312
Reduced:	O7C23H28 (1)
Stoich.:	A7B23C28 (1)
Weight, g/mol:	540.248504
ΔH_f, kcal/mol:	-208.69
Dipole, Da:	3.01
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-[(3S)-3-(2-hydroxyethyl)-3-methyl-2-oxopent-4-enyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-(methylamino)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations