Geometry & MOs

Info

ID:	195611
PubChem CID:	78711848
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-57.95
Dipole, Da:	7.28
IP(EA), eV:	-9.44(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C)(C#N)NC(=O)COC(=O)CC1=CSC(=N1)C2=CC=CS2

DOS

IR

Vibrations