Geometry & MOs

Info

ID:	179710
PubChem CID:	76520149
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	556.338661
ΔH_f, kcal/mol:	-100.8
Dipole, Da:	3.34
IP(EA), eV:	-9.11(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-tert-butyl-N-[4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-methoxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)N(C)C)C(CC3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations