Geometry & MOs

Info

ID:	217903
PubChem CID:	85088561
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	410.198777
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	3.44
IP(EA), eV:	-8.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-[(4-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CC(CC(O1)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)O)OC

DOS

IR

Vibrations