Geometry & MOs

Info

ID:	140260
PubChem CID:	52670939
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	8.42
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-4-(2-phenylethoxy)butanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)SC3=CC=C(C=C3)OC)NC(=O)C

DOS

IR

Vibrations