Geometry & MOs

Info

ID:	185767
PubChem CID:	77344762
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	628.347215
ΔH_f, kcal/mol:	-45.66
Dipole, Da:	5.49
IP(EA), eV:	-9.69(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN1C2C(N=C1CC=C)N(C(=O)NC2=O)C

DOS

IR

Vibrations