Geometry & MOs

Info

ID:	244362
PubChem CID:	99344276
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	462.212319
ΔH_f, kcal/mol:	9.41
Dipole, Da:	2.0
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[(2S)-2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-cyclopropylethyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1C(=O)NC[C@H](C3CC3)NC(=O)C4=CC5=CC=CC=C5N4C

DOS

IR

Vibrations