Geometry & MOs

Info

ID:	424932
PubChem CID:	135124484
Reduced:	SO4N8C33H38 (1)
Stoich.:	AB4C8D33E38 (1)
Weight, g/mol:	385.130757
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	5.84
IP(EA), eV:	-8.54(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[cyclopropylmethyl-(2-nitrophenyl)sulfonylamino]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)[C@H](CC(=O)NC4=NC=CC=N4)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations