Geometry & MOs

Info

ID:	435190
PubChem CID:	135183752
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	500.180818
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	2.67
IP(EA), eV:	-8.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-[(3S)-5-methyl-7-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)N[C@@H](C(C)C)C(=O)OC(C)C

DOS

IR

Vibrations