Geometry & MOs

Info

ID:	164196
PubChem CID:	74382253
Reduced:	FSN3O7C29H40 (1)
Stoich.:	ABC3D7E29F40 (1)
Weight, g/mol:	541.23589
ΔH_f, kcal/mol:	-317.6
Dipole, Da:	8.96
IP(EA), eV:	-9.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrimidin-5-ylmethyl N-[3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)N)S(=O)(=O)C4=CC=C(C=C4)OCCF

DOS

IR

Vibrations