Geometry & MOs

Info

ID:	62199
PubChem CID:	26718007
Reduced:	O2S3N4H18C21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	484.10527
ΔH_f, kcal/mol:	26.52
Dipole, Da:	7.27
IP(EA), eV:	-8.4(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)CC2=CSC(=N2)NC(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations