Geometry & MOs

Info

ID:	383500
PubChem CID:	134975256
Reduced:	S2O7H26C30 (1)
Stoich.:	A2B7C26D30 (1)
Weight, g/mol:	309.143704
ΔH_f, kcal/mol:	-149.93
Dipole, Da:	5.76
IP(EA), eV:	-8.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-[[(5-acetamido-1H-pyrrole-2-carbonyl)amino]-aminomethylidene]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(\C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)/C(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations