Geometry & MOs

Info

ID:	427983
PubChem CID:	135165648
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	932.17342
ΔH_f, kcal/mol:	-79.86
Dipole, Da:	3.63
IP(EA), eV:	-9.16(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-iodo-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylpropyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](CS)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations