Geometry & MOs

Info

ID:	187124
PubChem CID:	77532654
Reduced:	O2N7C23H37 (1)
Stoich.:	A2B7C23D37 (1)
Weight, g/mol:	388.17467
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	7.62
IP(EA), eV:	-7.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylamino)-3-(oxan-2-yloxy)-4-oxo-1-phenylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=NC(=C2C(=N1)N(NN2C(C)C)C(C)C)NC(CO)C3=CC=CC=C3

DOS

IR

Vibrations