Geometry & MOs

Info

ID:	218943
PubChem CID:	85090213
Reduced:	N7O10C20H35 (1)
Stoich.:	A7B10C20D35 (1)
Weight, g/mol:	533.212613
ΔH_f, kcal/mol:	-463.63
Dipole, Da:	7.14
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclopropylmethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CCCCN)C(=O)O)N

DOS

IR

Vibrations