Geometry & MOs

Info

ID:	304384
PubChem CID:	124571004
Reduced:	SN2O3C17H30 (1)
Stoich.:	AB2C3D17E30 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	2.38
IP(EA), eV:	-8.77(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[(3R)-1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CCO[C@@H](C1)COC2CCN(CC2)C(=O)NC[C@H]3CCCS3

DOS

IR

Vibrations