Geometry & MOs

Info

ID:	34409
PubChem CID:	7891225
Reduced:	OS2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	386.122634
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	4.21
IP(EA), eV:	-8.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)S[C@@H](C)C(=O)N3[C@@H](CCC[C@H]3C)C

DOS

IR

Vibrations